(E)-methoxy-[2-oxidanylidene-2-(pyridin-4-ylamino)ethylidene]azanium; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride

Systemtic Name: (E)-methoxy-[2-oxidanylidene-2-(pyridin-4-ylamino)ethylidene]azanium; 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride Openeye Name: (E)-methoxy-[2-oxo-2-(4-pyridylamino)ethylidene]ammonium; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride CAS Name: (E)-methoxy-[2-oxo-2-(pyridin-4-ylamino)ethylidene]ammonium; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride IUPAC Name: (E)-methoxy-[2-oxo-2-(pyridin-4-ylamino)ethylidene]azanium; 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride Traditional Name: 8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (E)-[2-keto-2-(4-pyridylamino)ethylidene]-methoxy-ammonium; hydrochloride Formula: C16H19ClN4O5S MolecularWeight: 414.86386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].CO[NH+]=CC(=O)NC1=CC=NC=C1.Cl

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].CO/[NH+]=C/C(=O)NC1=CC=NC=C1.Cl

InChI

InChI=1S/C8H9N3O2.C8H9NO3S.ClH/c1-13-10-6-8(12)11-7-2-4-9-5-3-7;1-4-6(10)9-5(8(11)12)2-3-13-7(4)9;/h2-6H,1H3,(H,9,11,12);2,4,7H,3H2,1H3,(H,11,12);1H/b10-6+;;